SCHEMBL18501035

SCHEMBL18501035

O=C(O)CCCCCNC(=O)OC1Cc2ccccc2/C=C\c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
HTR2C P28335 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HTT P42858 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
MAPK1 P28482 1/20 0.39
DRD3 P35462 1/20 0.38
ALDH1A1 P00352 2/20 0.36
PREP P48147 2/20 0.36
EPHX1 P07099 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21133907 0.86 DRD3 (0.40) KMT2AHTR2CSLC6A3HTTHDAC3
SCHEMBL18769789 0.82 CYP1A2 (0.43) KMT2AHTR2CSLC6A3HTTHDAC6
SCHEMBL12286069 0.82 KMT2A (0.48) KMT2AHTR2CSLC6A3HTTHDAC3
SCHEMBL22295740 0.80 BCHE (0.34) KMT2AALDH1A1
SCHEMBL18501033 0.77 KMT2A (0.39) KMT2AHTR2CSLC6A3HTTMAPK1
SCHEMBL20850765 0.76 DRD3 (0.34) DRD3
SCHEMBL24988700 0.76 ALDH1A1 (0.40) HTTHDAC4HDAC7HDAC5ALDH1A1
SCHEMBL23476321 0.74 SLC9A3 (0.35) LMNA
SCHEMBL18501063 0.73 KMT2A (0.39) KMT2AHTR2CSLC6A3HDAC3HDAC4
SCHEMBL1491692 0.73 KMT2A (0.69) KMT2AHTR2CSLC6A3HTTHDAC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550386-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2020-02-04 US disclosed
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2017-04-20 US disclosed
US-9566340-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10550386-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) FANCI, PCNA, DNMT1 KMT2A 1140/4885HTR2C 4727/4885SLC6A3 4797/4885
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 KMT2A 1140/4885HTR2C 4727/4885SLC6A3 4797/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.